N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide

C18H17ClN2O2S — CID 4505881

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C18H17ClN2O2S/c1-11(2)10-23-14-5-3-4-12(8-14)17(22)21-18-20-15-7-6-13(19)9-16(15)24-18/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyUVWOONCLEOSIAI-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.24
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 4505881) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
PubChem CID4505881
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C18H17ClN2O2S/c1-11(2)10-23-14-5-3-4-12(8-14)17(22)21-18-20-15-7-6-13(19)9-16(15)24-18/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyUVWOONCLEOSIAI-UHFFFAOYSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
3-butan-2-yloxy-N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4506792
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide (CID 4505881) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is UVWOONCLEOSIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-11(2)10-23-14-5-3-4-12(8-14)17(22)21-18-20-15-7-6-13(19)9-16(15)24-18/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 360.87 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4505881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).